5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester

C₇H₁₀N₂O₂CAS 4027-57-0154.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₀N₂O₂
Molar mass: 154.17 g/mol
Exact mass: 154.0742 Da
Melting point: 82 °C
logP: 0.89Crippen estimate
Polar surface area: 55.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4027-57-0

SMILES

CCOC(=O)c1cc(C)[nH]n1

InChIKey

BOTXQJAHRCGJEG-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-5(2)8-9-6/h4H,3H2,1-2H3,(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

1H-Pyrazole-3-carboxylic acid, 5-methyl-, ethyl ester
Pyrazole-3-carboxylic acid, 5-methyl-, ethyl ester
Pyrazole-3(or 5)-carboxylic acid, 5(or 3)-methyl-, ethyl ester
Ethyl 3-methyl-5-pyrazolecarboxylate
Ethyl 5-methylpyrazole-3-carboxylate
3-Ethoxycarbonyl-5-methylpyrazole
NSC 44006
NSC 62433
5-Methylpyrazole-3-carboxylic acid ethyl ester
Ethyl 5-methyl-1H-pyrazole-3-carboxylate

Work with 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-469 % similar 5-Isopropyl-1H-pyrazole-3-carboxylic acid ethyl ester78208-72-764 % similar Ethyl 3-propyl-1H-pyrazole-5-carboxylate92945-27-263 % similar Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate2199-44-255 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-951 % similar Ethyl 5-methylisoxazole-3-carboxylate3209-72-151 % similar Ethyl 5-amino-1H-pyrazole-3-carboxylate105434-90-050 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-amino-1H-pyrrole-3-carboxylate108290-86-4 N,N'-Methylenebisacrylamide110-26-9 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-7 4,6-Dimethoxy-2-methylpyrimidine13566-48-8 4-(Cyanoacetyl)morpholine15029-32-0 3,5-Dimethyl-1H-pyrazole-1-acetic acid16034-49-4 Ethyl 2-(1H-imidazol-1-yl)acetate17450-34-9 3-(2-Methyl-1H-imidazol-1-yl)propanoic acid24647-62-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook